1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-1,2-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-1,2-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-1,2-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-1,2-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-1,2-benzoxazol-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[5-(4-methylpiperazino)sulfonylindoxazen-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H25N7O4S MolecularWeight: 471.5327

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C4C(=CC(=C3)S(=O)(=O)N5CCN(CC5)C)C=NO4)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C4C(=CC(=C3)S(=O)(=O)N5CCN(CC5)C)C=NO4)C

InChI

InChI=1S/C21H25N7O4S/c1-4-5-16-17-18(27(3)25-16)21(29)24-20(23-17)15-11-14(10-13-12-22-32-19(13)15)33(30,31)28-8-6-26(2)7-9-28/h10-12H,4-9H2,1-3H3,(H,23,24,29)